2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

C20H26N6O5S2 — CID 29469902

IUPAC2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C20H26N6O5S2/c21-19(28)16-3-12-32-20(16)23-18(27)14-24-4-6-25(7-5-24)17-2-1-15(13-22-17)33(29,30)26-8-10-31-11-9-26/h1-3,12-13H,4-11,14H2,(H2,21,28)(H,23,27)
InChIKeyFXXACAJRYXJWRP-UHFFFAOYSA-N
MW494.60 g/mol
LogP0.02
Rot. Bonds7

About 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 29469902) has the molecular formula C20H26N6O5S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID29469902
Molecular FormulaC20H26N6O5S2
Molecular Weight494.60 g/mol
Exact Mass494.14
IUPAC Name2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C20H26N6O5S2/c21-19(28)16-3-12-32-20(16)23-18(27)14-24-4-6-25(7-5-24)17-2-1-15(13-22-17)33(29,30)26-8-10-31-11-9-26/h1-3,12-13H,4-11,14H2,(H2,21,28)(H,23,27)
InChIKeyFXXACAJRYXJWRP-UHFFFAOYSA-N
XLogP0.02
TPSA138.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]-N-naphthalen-2-ylacetamide
CID 43037992
2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 5044047
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 27156572
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
2-(4-methylphenyl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24598564
methyl 2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 2808764
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 29469902) is 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is FXXACAJRYXJWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O5S2/c21-19(28)16-3-12-32-20(16)23-18(27)14-24-4-6-25(7-5-24)17-2-1-15(13-22-17)33(29,30)26-8-10-31-11-9-26/h1-3,12-13H,4-11,14H2,(H2,21,28)(H,23,27).
What are the key properties of 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 29469902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).